[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" 5.22185206413269 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.221852064132691e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-3m" } "temperature" { "source-value" 0 "source-unit" "K" "si-unit" "K" "si-value" 0.0 } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" "si-unit" "kg / m s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] } "c11" { "source-value" -808549.5451891283 "source-unit" "GPa" "source-std-uncert-value" 0.0073359320419385185 "si-unit" "kg / m s^2" "si-value" -808549545189128.2 } "c12" { "source-value" 61.568983963898745 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361897505 "si-unit" "kg / m s^2" "si-value" 61568983963.89874 } "c44" { "source-value" -606473.5805795502 "source-unit" "GPa" "source-std-uncert-value" 0.001833983669089182 "si-unit" "kg / m s^2" "si-value" -606473580579550.2 } "excess" { "source-value" 25.057630108632463 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180927725 "si-unit" "kg / m s^2" "si-value" 25057630108.63246 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" 5.22185206413269 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.221852064132691e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-3m" } "temperature" { "source-value" 0 "source-unit" "K" "si-unit" "K" "si-value" 0.0 } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" "si-unit" "kg / m s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] } "isothermal-bulk-modulus" { "source-value" -269475.46907373343 "source-unit" "GPa" "source-std-uncert-value" 0.004235401832244907 "si-unit" "kg / m s^2" "si-value" -269475469073733.4 } } ]